5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide

C23H28F3N3O3S — CID 16558784

IUPAC5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)NCCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C23H28F3N3O3S/c1-28(2)33(31,32)19-10-11-21(29-14-4-3-5-15-29)20(16-19)22(30)27-13-12-17-6-8-18(9-7-17)23(24,25)26/h6-11,16H,3-5,12-15H2,1-2H3,(H,27,30)
InChIKeyRVCXBQGFLIUYFK-UHFFFAOYSA-N
MW483.56 g/mol
LogP3.92
Rot. Bonds7

About 5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide

5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 16558784) has the molecular formula C23H28F3N3O3S and a molecular weight of 483.56 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID16558784
Molecular FormulaC23H28F3N3O3S
Molecular Weight483.56 g/mol
Exact Mass483.18
IUPAC Name5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)NCCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C23H28F3N3O3S/c1-28(2)33(31,32)19-10-11-21(29-14-4-3-5-15-29)20(16-19)22(30)27-13-12-17-6-8-18(9-7-17)23(24,25)26/h6-11,16H,3-5,12-15H2,1-2H3,(H,27,30)
InChIKeyRVCXBQGFLIUYFK-UHFFFAOYSA-N
XLogP3.92
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.56
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(dimethylsulfamoyl)-2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 17488969
5-(dimethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 31737983
N-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 119384344
5-(dimethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 26880620
5-(dimethylsulfamoyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 55964496
5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119514587
5-(dimethylsulfamoyl)-N-[3-(2-fluoro-N-methylanilino)propyl]-2-pyrrolidin-1-ylbenzamide
CID 55908803
5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 29198666
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 55620970
5-(dimethylsulfamoyl)-N-[2-(methylamino)propyl]-2-pyrrolidin-1-ylbenzamide;hydrochloride
CID 120833091
5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-pyridin-4-ylbenzamide
CID 51251633
5-(dimethylsulfamoyl)-N-[1-(2-phenylethyl)piperidin-4-yl]-2-piperidin-1-ylbenzamide
CID 112822454

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of 5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide (CID 16558784) is 5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide is CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)NCCc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is RVCXBQGFLIUYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N3O3S/c1-28(2)33(31,32)19-10-11-21(29-14-4-3-5-15-29)20(16-19)22(30)27-13-12-17-6-8-18(9-7-17)23(24,25)26/h6-11,16H,3-5,12-15H2,1-2H3,(H,27,30).
What are the key properties of 5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 483.56 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 16558784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).